General Information of the Compound
| Compound ID |
CP0446889
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| Compound Name |
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
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| Structure |
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| Formula |
C16H20N4O2S
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| Molecular Weight |
332.429
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| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2OCCOc2c1
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| InChI |
InChI=1S/C16H20N4O2S/c1-12-10-17-11-20(12)6-2-5-18-16(23)19-13-3-4-14-15(9-13)22-8-7-21-14/h3-4,9-11H,2,5-8H2,1H3,(H2,18,19,23)
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| InChIKey |
DJEVZVHITAMVGR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound